Code/trivial name (a)	Chemical name/SMILES notation InChiKey (b)	Structural formula (b)
mepanipyrim	N‐[4‐methyl‐6‐(prop‐1‐ynyl)pyrimidin‐2‐yl]aniline Cc1cc(nc(Nc2ccccc2)n1)C#CC CIFWZNRJIBNXRE‐UHFFFAOYSA‐N
M11	3‐[2‐(4‐hydroxyanilino)‐6‐methyl‐4‐pyrimidinyl]‐1,2‐propanediol OCC(O)Cc2cc(C)nc(Nc1ccc(O)cc1)n2 ZZNKMAMJVMBHSI‐UHFFFAOYSA‐N
M31	1‐(2‐anilino‐6‐methyl‐4‐pyrimidinyl)‐2‐propanol CC(O)Cc2cc(C)nc(Nc1ccccc1)n2 OMAYAFSHSPPBTA‐UHFFFAOYSA‐N
M33	(2E)‐3‐(2‐anilino‐6‐methyl‐4‐pyrimidinyl)‐2‐propen‐1‐ol OC\C=C\c2cc(C)nc(Nc1ccccc1)n2 YDTGUMSCZSFBGT‐VMPITWQZSA‐N
M36	3‐(2‐anilino‐6‐methyl‐4‐pyrimidinyl)‐1,2‐propanediol OCC(O)Cc2cc(C)nc(Nc1ccccc1)n2 WKVZPDPQDCVLLR‐UHFFFAOYSA‐N
B‐11	3‐(2‐anilino‐6‐methyl‐4‐pyrimidinyl)propanoic acid O=C(O)CCc2cc(C)nc(Nc1ccccc1)n2 KOYBUQMDWAAXTL‐UHFFFAOYSA‐N

^(a)The compound name in bold is the name used in the conclusion.

^(b)ACD/Name 2021.1.3 ACD/Labs 2021.1.3 (File Version N15E41, Build 123232, 7 July 2021) ACD/ChemSketch 2021.1.3 ACD/Labs 2021.1.3 (File Version C25H41, Build 123835, 28 August 2021).